Ethyl 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzoate - ≥96% , CAS No.346656-34-6

CAS: 346656-34-6 Cat. No.: E156071 Peso molecular: 262.11

GRADE & PURITY ≥96%

Synonyms

T72340 | AKOS015842265 | Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate | J-019696 | SCHEMBL5892462 | FT-0644473 | A822338 | MFCD08276372 | 2-(2-Carbethoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane | DTXSID50438293 | HY-23524 | AS-69587 | 2-(2-(1-(t

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Describtion:

HSL-IN-3 (example 42), a boronic acid ester derivative, is an inhibitor of hormone-sensitive lipase (HSL).

Specifications

Sinónimos

T72340 | AKOS015842265 | Ethyl 2-(5, 5-dimethyl-1, 3, 2-dioxaborinan-2-yl)benzoate | J-019696 | SCHEMBL5892462 | FT-0644473 | A822338 | MFCD08276372 | 2-(2-Carbethoxyphenyl)-5, 5-dimethyl-1, 3, 2-dioxaborinane | DTXSID50438293 | HY-23524 | AS-69587 | 2-(2-(1-(t

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504765402
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765402
• Sonrisas canónicas: B1(OCC(CO1)(C)C)C2=CC=CC=C2C(=O)OCC
• IUPAC Name: ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
• InChIKey: GZHASWCTAWNFFW-UHFFFAOYSA-N
• INCHI: 1S/C14H19BO4/c1-4-17-13(16)11-7-5-6-8-12(11)15-18-9-14(2,3)10-19-15/h5-8H,4,9-10H2,1-3H3
• Isómeros SMILES: B1(OCC(CO1)(C)C)C2=CC=CC=C2C(=O)OCC
• Peso molecular: 262.11
• Reaxy-Rn: 8772576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8772576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Boronic acid esters Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Boronic acid ester - Carboxylic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Heat Sensitive
• Índice de refracción: 1.51
• Peso molecular: 262.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.138 Da
• Monoisotopic Mass: 262.138 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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